Information card for entry 2225340

Structure parameters

• Chemical name: 2-Phenylimidazolium chloride monohydrate
• Formula: C9 H11 Cl N2 O
• Calculated formula: C9 H11 Cl N2 O
• SMILES: c1c[nH]c(c2ccccc2)[nH+]1.O.[Cl-]
• Title of publication: 2-Phenylimidazolium chloride monohydrate
• Authors of publication: Xia, Dao-Cheng; Yao, Ji-Huan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o673
• a: 7.2751 ± 0.001 Å
• b: 8.8816 ± 0.0013 Å
• c: 9.3228 ± 0.001 Å
• α: 105.486 ± 0.011°
• β: 106.516 ± 0.011°
• γ: 109.337 ± 0.013°
• Cell volume: 499.65 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes